CID 6333

Bromochloromethane

Structural Information

Molecular Formula
CH2BrCl
SMILES
C(Cl)Br
InChI
InChI=1S/CH2BrCl/c2-1-3/h1H2
InChIKey
JPOXNPPZZKNXOV-UHFFFAOYSA-N
Compound name
bromo(chloro)methane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

39
References

9228
Patents

127.90284 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.91012 111.1
[M+Na]+ 150.89206 124.9
[M-H]- 126.89556 114.9
[M+NH4]+ 145.93666 137.6
[M+K]+ 166.86600 114.1
[M+H-H2O]+ 110.90010 114.0
[M+HCOO]- 172.90104 129.6
[M+CH3COO]- 186.91669 168.0
[M+Na-2H]- 148.87751 121.8
[M]+ 127.90229 130.5
[M]- 127.90339 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.